SCHEMBL15539299

SCHEMBL15539299

O=CC1=C(c2ccc(Cl)cc2)CCC2(CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.44
PTGS1 P23219 7/20 0.44
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC6A3 Q01959 3/20 0.32
SLC6A2 P23975 1/20 0.31
BCL2L1 Q07817 1/20 0.31
MAPK1 P28482 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1812781 0.94 PTGS2 (0.39) PTGS2PTGS1HSD17B10KDM4EALDH1A1
SCHEMBL1700789 0.87 PTGS2 (0.48) PTGS2PTGS1HSD17B10KDM4EALDH1A1
SCHEMBL1701049 0.83 PTGS2 (0.37) PTGS2PTGS1HSD17B10KDM4EALDH1A1
SCHEMBL1497714 0.83 PTGS2 (0.44) PTGS2PTGS1HSD17B10KDM4EALDH1A1
SCHEMBL1956774 0.82 PTGS2 (0.38) PTGS2PTGS1HSD17B10KDM4EALDH1A1
SCHEMBL24165528 0.81 PTGS2 (0.42) PTGS2PTGS1HSD17B10KDM4EALDH1A1
SCHEMBL1701070 0.79 PTGS2 (0.35) PTGS2PTGS1HSD17B10KDM4EALDH1A1
SCHEMBL15539178 0.79 PTGS2 (0.35) PTGS2PTGS1HSD17B10KDM4EALDH1A1
SCHEMBL1701087 0.78 PTGS2 (0.38) PTGS2PTGS1HSD17B10SLC6A3SLC6A2
SCHEMBL29319415 0.77 PTGS2 (0.33) PTGS2PTGS1ALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013185202-A1 APOPTOSIS INDUCERS BETA PHARMA CANADA INC (CA) 2013-12-19 WO disclosed
WO-2013185202-A1 APOPTOSIS INDUCERS BETA PHARMA CANADA INC (CA) 2013-12-19 WO disclosed